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<div class="section" id="module-quippy.mpi_context">
<span id="mpi-parallel-interface"></span><h1>MPI parallel interface<a class="headerlink" href="#module-quippy.mpi_context" title="Permalink to this headline">¶</a></h1>
<p>Module contents for <a class="reference internal" href="#module-quippy.mpi_context" title="quippy.mpi_context: MPI parallel interface"><code class="xref py py-mod docutils literal notranslate"><span class="pre">quippy.mpi_context</span></code></a>:</p>
<p class="rubric">Classes</p>
<table border="1" class="longtable docutils">
<colgroup>
<col width="10%" />
<col width="90%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context" title="quippy.mpi_context.MPI_context"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MPI_context</span></code></a>(…)</td>
<td>mpi_context_initialise([communicator,context,dims,periods,error])</td>
</tr>
</tbody>
</table>
<p class="rubric">Functions</p>
<table border="1" class="longtable docutils">
<colgroup>
<col width="10%" />
<col width="90%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.push_mpi_error" title="quippy.mpi_context.push_mpi_error"><code class="xref py py-obj docutils literal notranslate"><span class="pre">push_mpi_error</span></code></a>(info,fn,line)</td>
<td><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"></td>
</tr>
</tbody>
</table>
</td>
</tr>
</tbody>
</table>
<p class="rubric">Attributes</p>
<table border="1" class="docutils">
<colgroup>
<col width="71%" />
<col width="29%" />
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<thead valign="bottom">
<tr class="row-odd"><th class="head">Name</th>
<th class="head">Value</th>
</tr>
</thead>
<tbody valign="top">
<tr class="row-even"><td><code class="xref py py-attr docutils literal notranslate"><span class="pre">ROOT</span></code></td>
<td>0</td>
</tr>
</tbody>
</table>
<dl class="class">
<dt id="quippy.mpi_context.MPI_context">
<em class="property">class </em><code class="descclassname">quippy.mpi_context.</code><code class="descname">MPI_context</code><span class="sig-paren">(</span><span class="optional">[</span><em>communicator</em>, <em>context</em>, <em>dims</em>, <em>periods</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context" title="Permalink to this definition">¶</a></dt>
<dd><p>Bases: <a class="reference internal" href="oo_fortran.html#quippy.oo_fortran.FortranDerivedType" title="quippy.oo_fortran.FortranDerivedType"><code class="xref py py-class docutils literal notranslate"><span class="pre">quippy.oo_fortran.FortranDerivedType</span></code></a></p>
<p>mpi_context_initialise([communicator,context,dims,periods,error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
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<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>communicator</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int, optional</span></dt>
<dd></dd>
<dt><strong>context</strong> <span class="classifier-delimiter">:</span> <span class="classifier"><a class="reference internal" href="#quippy.mpi_context.MPI_context" title="quippy.mpi_context.MPI_context"><code class="xref py py-class docutils literal notranslate"><span class="pre">MPI_context</span></code></a> object, optional</span></dt>
<dd></dd>
<dt><strong>dims</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input rank-1 array(‘i’) with bounds (3), optional</span></dt>
<dd></dd>
<dt><strong>periods</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input rank-1 array(‘i’) with bounds (3), optional</span></dt>
<dd></dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">__init__initialise</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.
Class is wrapper around Fortran type <code class="docutils literal notranslate"><span class="pre">MPI_context</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
<p class="rubric">Methods</p>
<table border="1" class="longtable docutils">
<colgroup>
<col width="10%" />
<col width="90%" />
</colgroup>
<tbody valign="top">
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.all" title="quippy.mpi_context.MPI_context.all"><code class="xref py py-obj docutils literal notranslate"><span class="pre">all</span></code></a>(v,[error])</td>
<td>mpi_context_all(v,[error])</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.any" title="quippy.mpi_context.MPI_context.any"><code class="xref py py-obj docutils literal notranslate"><span class="pre">any</span></code></a>(v,[error])</td>
<td>mpi_context_any(v,[error])</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.barrier" title="quippy.mpi_context.MPI_context.barrier"><code class="xref py py-obj docutils literal notranslate"><span class="pre">barrier</span></code></a>([error])</td>
<td>mpi_context_barrier([error])</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.bcast" title="quippy.mpi_context.MPI_context.bcast"><code class="xref py py-obj docutils literal notranslate"><span class="pre">bcast</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">bcast</span></code> containing multiple routines:</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.cart_shift" title="quippy.mpi_context.MPI_context.cart_shift"><code class="xref py py-obj docutils literal notranslate"><span class="pre">cart_shift</span></code></a>(direction,displ,[error])</td>
<td>mpi_context_cart_shift(direction,displ,[error])</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.collect" title="quippy.mpi_context.MPI_context.collect"><code class="xref py py-obj docutils literal notranslate"><span class="pre">collect</span></code></a>(v_in,n2,n3,[error])</td>
<td>mpi_context_collect(v_in,n2,n3,[error])</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.collect_real2" title="quippy.mpi_context.MPI_context.collect_real2"><code class="xref py py-obj docutils literal notranslate"><span class="pre">collect_real2</span></code></a>(v_in,n2,n3,[error])</td>
<td><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"></td>
</tr>
</tbody>
</table>
</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.free_context" title="quippy.mpi_context.MPI_context.free_context"><code class="xref py py-obj docutils literal notranslate"><span class="pre">free_context</span></code></a>([error])</td>
<td>mpi_context_free_context([error])</td>
</tr>
<tr class="row-odd"><td><code class="xref py py-obj docutils literal notranslate"><span class="pre">is_same_fortran_object</span></code>(other)</td>
<td>Test if <cite>self</cite> and <cite>other</cite> point to the same Fortan object.</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.max" title="quippy.mpi_context.MPI_context.max"><code class="xref py py-obj docutils literal notranslate"><span class="pre">max</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">max</span></code> containing multiple routines:</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.min" title="quippy.mpi_context.MPI_context.min"><code class="xref py py-obj docutils literal notranslate"><span class="pre">min</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">min</span></code> containing multiple routines:</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.mpi_print" title="quippy.mpi_context.MPI_context.mpi_print"><code class="xref py py-obj docutils literal notranslate"><span class="pre">mpi_print</span></code></a>(lines)</td>
<td><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"></td>
</tr>
</tbody>
</table>
</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.print_" title="quippy.mpi_context.MPI_context.print_"><code class="xref py py-obj docutils literal notranslate"><span class="pre">print_</span></code></a>([file])</td>
<td>mpi_context_print([file])</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.sendrecv" title="quippy.mpi_context.MPI_context.sendrecv"><code class="xref py py-obj docutils literal notranslate"><span class="pre">sendrecv</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sendrecv</span></code> containing multiple routines:</td>
</tr>
<tr class="row-odd"><td><code class="xref py py-obj docutils literal notranslate"><span class="pre">shallow_copy</span></code>()</td>
<td>Return a shallow copy of <cite>self</cite>.</td>
</tr>
<tr class="row-even"><td><code class="xref py py-obj docutils literal notranslate"><span class="pre">shallow_copy_from</span></code>(other)</td>
<td>Transform <cite>self</cite> into a shallow copy of <cite>other</cite>.</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.split_context" title="quippy.mpi_context.MPI_context.split_context"><code class="xref py py-obj docutils literal notranslate"><span class="pre">split_context</span></code></a>(split_index,[error])</td>
<td>mpi_context_split_context(split_index,[error])</td>
</tr>
<tr class="row-even"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.sum" title="quippy.mpi_context.MPI_context.sum"><code class="xref py py-obj docutils literal notranslate"><span class="pre">sum</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sum</span></code> containing multiple routines:</td>
</tr>
<tr class="row-odd"><td><a class="reference internal" href="#quippy.mpi_context.MPI_context.sum_in_place" title="quippy.mpi_context.MPI_context.sum_in_place"><code class="xref py py-obj docutils literal notranslate"><span class="pre">sum_in_place</span></code></a>(*args,&nbsp;**kwargs)</td>
<td>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sum_in_place</span></code> containing multiple routines:</td>
</tr>
</tbody>
</table>
<dl class="method">
<dt id="quippy.mpi_context.MPI_context.all">
<code class="descname">all</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.all" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_all(v,[error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first docutils">
<dt><strong>v</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>ret_mpi_context_all</strong> <span class="classifier-delimiter">:</span> <span class="classifier">int</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">all</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.any">
<code class="descname">any</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.any" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_any(v,[error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first docutils">
<dt><strong>v</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>ret_mpi_context_any</strong> <span class="classifier-delimiter">:</span> <span class="classifier">int</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">any</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.barrier">
<code class="descname">barrier</code><span class="sig-paren">(</span><span class="optional">[</span><em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.barrier" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_barrier([error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">barrier</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.bcast">
<code class="descname">bcast</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.bcast" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">bcast</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_real1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_real2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'i'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_logical1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'i'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_logical2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'D'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_c1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'D'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_c2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_logical</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'S'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>(</em><em>*</em><em>)</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_char1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-3 array</em><em>(</em><em>'S'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>,</em><em>(</em><em>*</em><em>)</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_char2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_int</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#float" title="(in Python v2.7)"><em>float</em></a><em>,</em><em>'d'</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_real</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'i'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_int2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'i'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_int1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">bcast</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>root</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><em>string</em><em>(</em><em>len=-1</em><em>)</em><em>,</em><em>'c'</em><em>)</em>) – </li>
<li><strong>root</strong> (<em>input int</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_bcast_char</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.cart_shift">
<code class="descname">cart_shift</code><span class="sig-paren">(</span><em>direction</em>, <em>displ</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.cart_shift" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_cart_shift(direction,displ,[error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>direction</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
<dt><strong>displ</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
<dt><strong>source</strong> <span class="classifier-delimiter">:</span> <span class="classifier">int</span></dt>
<dd></dd>
<dt><strong>dest</strong> <span class="classifier-delimiter">:</span> <span class="classifier">int</span></dt>
<dd></dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">cart_shift</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.collect">
<code class="descname">collect</code><span class="sig-paren">(</span><em>v_in</em>, <em>n2</em>, <em>n3</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.collect" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_collect(v_in,n2,n3,[error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first docutils">
<dt><strong>v_in</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input rank-2 array(‘d’) with bounds (qp_n0,qp_n1)</span></dt>
<dd></dd>
<dt><strong>n2</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd><p class="first last">shape(qp_v_out,0)</p>
</dd>
<dt><strong>n3</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd><p class="first last">shape(qp_v_out,1)</p>
</dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>v_out</strong> <span class="classifier-delimiter">:</span> <span class="classifier">rank-2 array(‘d’) with bounds (qp_n2,qp_n3)</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">collect_real2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.collect_real2">
<code class="descname">collect_real2</code><span class="sig-paren">(</span><em>v_in</em>, <em>n2</em>, <em>n3</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.collect_real2" title="Permalink to this definition">¶</a></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first docutils">
<dt><strong>v_in</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input rank-2 array(‘d’) with bounds (qp_n0,qp_n1)</span></dt>
<dd></dd>
<dt><strong>n2</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd><p class="first last">shape(qp_v_out,0)</p>
</dd>
<dt><strong>n3</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd><p class="first last">shape(qp_v_out,1)</p>
</dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>v_out</strong> <span class="classifier-delimiter">:</span> <span class="classifier">rank-2 array(‘d’) with bounds (qp_n2,qp_n3)</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_collect_real2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.free_context">
<code class="descname">free_context</code><span class="sig-paren">(</span><span class="optional">[</span><em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.free_context" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_free_context([error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">free_context</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.max">
<code class="descname">max</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.max" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">max</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">max</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input float</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_max_real</strong> –  float</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_max_real</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">max</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input int</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_max_int</strong> –  int</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_max_int</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.min">
<code class="descname">min</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.min" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">min</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">min</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input int</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_min_int</strong> –  int</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_min_int</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">min</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input float</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_min_real</strong> –  float</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_min_real</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.mpi_print">
<code class="descname">mpi_print</code><span class="sig-paren">(</span><em>lines</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.mpi_print" title="Permalink to this definition">¶</a></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>lines</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input rank-2 array(‘S’) with bounds (qp_n0,(*))</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_print</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.print_">
<code class="descname">print_</code><span class="sig-paren">(</span><span class="optional">[</span><em>file</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.print_" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_print([file])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>file</strong> <span class="classifier-delimiter">:</span> <span class="classifier"><a class="reference internal" href="system.html#quippy.system.InOutput" title="quippy.system.InOutput"><code class="xref py py-class docutils literal notranslate"><span class="pre">InOutput</span></code></a> object, optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">print_</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.sendrecv">
<code class="descname">sendrecv</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.sendrecv" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sendrecv</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">sendrecv</code><span class="sig-paren">(</span><em>sendbuf</em>, <em>dest</em>, <em>sendtag</em>, <em>source</em>, <em>recvtag</em>, <em>n1</em><span class="optional">[</span>, <em>nrecv</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>sendbuf</strong> (<em>input rank-1 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>dest</strong> (<em>input int</em>) – </li>
<li><strong>sendtag</strong> (<em>input int</em>) – </li>
<li><strong>n1</strong> (<em>input int</em>) – shape(qp_recvbuf,0)</li>
<li><strong>source</strong> (<em>input int</em>) – </li>
<li><strong>recvtag</strong> (<em>input int</em>) – </li>
<li><strong>nrecv</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>recvbuf</strong> –  rank-1 array(‘d’) with bounds (qp_n1)</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sendrecv_ra</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sendrecv</code><span class="sig-paren">(</span><em>sendbuf</em>, <em>dest</em>, <em>sendtag</em>, <em>source</em>, <em>recvtag</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>sendbuf</strong> (<em>input float</em>) – </li>
<li><strong>dest</strong> (<em>input int</em>) – </li>
<li><strong>sendtag</strong> (<em>input int</em>) – </li>
<li><strong>source</strong> (<em>input int</em>) – </li>
<li><strong>recvtag</strong> (<em>input int</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>recvbuf</strong> –  float</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sendrecv_r</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sendrecv</code><span class="sig-paren">(</span><em>sendbuf</em>, <em>dest</em>, <em>sendtag</em>, <em>source</em>, <em>recvtag</em>, <em>n1</em><span class="optional">[</span>, <em>nrecv</em>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>sendbuf</strong> (<em>input rank-2 array</em><em>(</em><em>'S'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>(</em><em>1</em><em>)</em><em>)</em>) – </li>
<li><strong>dest</strong> (<em>input int</em>) – </li>
<li><strong>sendtag</strong> (<em>input int</em>) – </li>
<li><strong>n1</strong> (<em>input int</em>) – shape(qp_recvbuf,0)</li>
<li><strong>source</strong> (<em>input int</em>) – </li>
<li><strong>recvtag</strong> (<em>input int</em>) – </li>
<li><strong>nrecv</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>recvbuf</strong> –  rank-2 array(‘S’) with bounds (qp_n1,(1))</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sendrecv_c1a</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.split_context">
<code class="descname">split_context</code><span class="sig-paren">(</span><em>split_index</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.split_context" title="Permalink to this definition">¶</a></dt>
<dd><p>mpi_context_split_context(split_index,[error])</p>
<table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first docutils">
<dt><strong>split_index</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
<dt><strong>error</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’), optional</span></dt>
<dd></dd>
</dl>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>new_context</strong> <span class="classifier-delimiter">:</span> <span class="classifier"><a class="reference internal" href="#quippy.mpi_context.MPI_context" title="quippy.mpi_context.MPI_context"><code class="xref py py-class docutils literal notranslate"><span class="pre">MPI_context</span></code></a> object</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">split_context</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.sum">
<code class="descname">sum</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.sum" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sum</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">sum</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input int</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_sum_int</strong> –  int</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_int</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first simple">
<li><strong>v</strong> (<em>input float</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
<tr class="field-even field"><th class="field-name">Returns:</th><td class="field-body"><p class="first last"><strong>ret_mpi_context_sum_real</strong> –  float</p>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_real</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

<dl class="method">
<dt id="quippy.mpi_context.MPI_context.sum_in_place">
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>*args</em>, <em>**kwargs</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.MPI_context.sum_in_place" title="Permalink to this definition">¶</a></dt>
<dd><p>Wrapper around Fortran interface <code class="docutils literal notranslate"><span class="pre">sum_in_place</span></code> containing multiple routines:</p>
<blockquote>
<div><dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'D'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_complex1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'D'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_complex2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'i'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_int1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_int0</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-1 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_real1</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#float" title="(in Python v2.7)"><em>float</em></a><em>,</em><em>'d'</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_real0</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-3 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>,</em><em>qp_n2</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_real3</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

<dl class="function">
<dt>
<code class="descname">sum_in_place</code><span class="sig-paren">(</span><em>v</em><span class="optional">[</span>, <em>error</em><span class="optional">]</span><span class="sig-paren">)</span></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><ul class="first last simple">
<li><strong>v</strong> (<em>in/output rank-2 array</em><em>(</em><em>'d'</em><em>) </em><em>with bounds</em><em> (</em><em>qp_n0</em><em>,</em><em>qp_n1</em><em>)</em>) – </li>
<li><strong>error</strong> (<em>in/output rank-0 array</em><em>(</em><a class="reference external" href="https://docs.python.org/2.7/library/functions.html#int" title="(in Python v2.7)"><em>int</em></a><em>,</em><em>'i'</em><em>)</em><em>, </em><em>optional</em>) – </li>
</ul>
</td>
</tr>
</tbody>
</table>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">mpi_context_sum_in_place_real2</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div></blockquote>
</dd></dl>

</dd></dl>

<dl class="function">
<dt id="quippy.mpi_context.push_mpi_error">
<code class="descclassname">quippy.mpi_context.</code><code class="descname">push_mpi_error</code><span class="sig-paren">(</span><em>info</em>, <em>fn</em>, <em>line</em><span class="sig-paren">)</span><a class="headerlink" href="#quippy.mpi_context.push_mpi_error" title="Permalink to this definition">¶</a></dt>
<dd><table class="docutils field-list" frame="void" rules="none">
<col class="field-name" />
<col class="field-body" />
<tbody valign="top">
<tr class="field-odd field"><th class="field-name">Parameters:</th><td class="field-body"><dl class="first last docutils">
<dt><strong>info</strong> <span class="classifier-delimiter">:</span> <span class="classifier">in/output rank-0 array(int,’i’)</span></dt>
<dd><p class="first last">MPI error code</p>
</dd>
<dt><strong>fn</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input string(len=-1)</span></dt>
<dd></dd>
<dt><strong>line</strong> <span class="classifier-delimiter">:</span> <span class="classifier">input int</span></dt>
<dd></dd>
</dl>
</td>
</tr>
</tbody>
</table>
<p class="rubric">References</p>
<p>Routine is wrapper around Fortran routine <code class="docutils literal notranslate"><span class="pre">push_mpi_error</span></code> defined in file <a class="reference external" href="https://github.com/libAtoms/QUIP/blob/public/src/libAtoms/MPI_context.f95">src/libAtoms/MPI_context.f95</a>.</p>
</dd></dl>

</div>


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